ethyl (2E)-2-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxidanylidene-ethyl]-4-methylsulfonylsulfanyl-piperidin-3-ylidene]ethanoate

Systemtic Name: ethyl (2E)-2-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxidanylidene-ethyl]-4-methylsulfonylsulfanyl-piperidin-3-ylidene]ethanoate Openeye Name: ethyl (2E)-2-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxo-ethyl]-4-methylsulfonylsulfanyl-3-piperidylidene]acetate CAS Name: (2E)-2-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4-(methylsulfonylthio)-3-piperidinylidene]acetic acid ethyl ester IUPAC Name: ethyl (2E)-2-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4-methylsulfonylsulfanylpiperidin-3-ylidene]acetate Traditional Name: (2E)-2-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-keto-ethyl]-4-(mesylthio)-3-piperidylidene]acetic acid ethyl ester Formula: C21H26FNO5S2 MolecularWeight: 455.563243

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C1CN(CCC1SS(=O)(=O)C)C(C2=CC=CC=C2F)C(=O)C3CC3

Isomeric SMILES

CCOC(=O)/C=C/1\CN(CCC1SS(=O)(=O)C)C(C2=CC=CC=C2F)C(=O)C3CC3

InChI

InChI=1S/C21H26FNO5S2/c1-3-28-19(24)12-15-13-23(11-10-18(15)29-30(2,26)27)20(21(25)14-8-9-14)16-6-4-5-7-17(16)22/h4-7,12,14,18,20H,3,8-11,13H2,1-2H3/b15-12+